1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine

C13H19FN2O — CID 134534646

IUPAC1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine
SMILESCOc1cc(C)cc(F)c1N1CCN(C)CC1
InChIInChI=1S/C13H19FN2O/c1-10-8-11(14)13(12(9-10)17-3)16-6-4-15(2)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyNAOKBBSGYKHKSJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.89
Rot. Bonds2

About 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine

1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine (PubChem CID 134534646) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine
PubChem CID134534646
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine
SMILESCOc1cc(C)cc(F)c1N1CCN(C)CC1
InChIInChI=1S/C13H19FN2O/c1-10-8-11(14)13(12(9-10)17-3)16-6-4-15(2)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyNAOKBBSGYKHKSJ-UHFFFAOYSA-N
XLogP1.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine (CID 134534646) is 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine is COc1cc(C)cc(F)c1N1CCN(C)CC1.
What is the InChIKey of 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine?
The InChIKey is NAOKBBSGYKHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-8-11(14)13(12(9-10)17-3)16-6-4-15(2)5-7-16/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine?
1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine has a molecular weight of 238.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine is sourced from PubChem (CID 134534646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).